Adam's unres update

[unres.git] / source / unres / src-HCD-5D / timing.F

diff --git a/source/unres/src-HCD-5D/timing.F b/source/unres/src-HCD-5D/timing.F
index 7bd51b8..98ce59a 100644 (file)
--- a/source/unres/src-HCD-5D/timing.F
+++ b/source/unres/src-HCD-5D/timing.F
@@ -50,6 +50,18 @@ C Calculate the initial time, if it is not zero (e.g. for the SUN).
       time_fricmatmult=0.0d0
       time_fsample=0.0d0
       time_SAXS=0.0d0
+      time_list=0.0d0
+      time_evdw=0.0d0
+      time_evdw_short=0.0d0
+      time_evdw_long=0.0d0
+      time_eelec=0.0d0
+      time_eelec_short=0.0d0
+      time_eelec_long=0.0d0
+      time_escp=0.0d0
+      time_escp_short=0.0d0
+      time_escp_long=0.0d0
+      time_escpsetup=0.0d0
+      time_escpcalc=0.0d0
 #endif
 cd    print *,' in SET_TIMERS stime=',stime
       return 
@@ -287,6 +299,7 @@ C---------------------------------------------------------------------------
       include 'COMMON.IOUNITS'
       include 'COMMON.TIME1'
       include 'COMMON.SETUP'
+      include 'COMMON.MD'
 #ifdef MPI
       time1=MPI_WTIME()
          write (iout,'(80(1h=)/a/(80(1h=)))') 
@@ -318,6 +331,30 @@ C---------------------------------------------------------------------------
      &      time_bcast+time_reduce+time_gather+time_scatter+
      &      time_sendrecv+time_barrier_g+time_barrier_e+time_bcastc
          write (*,*) "Processor",fg_rank,myrank," enecalc",time_enecalc
+#ifdef TIMING_ENE
+         if (RESPA) then
+           write (*,*) "Processor",fg_rank,myrank," evdw_long",
+     &       time_evdw_long
+           write (*,*) "Processor",fg_rank,myrank," evdw_short",
+     &       time_evdw_short
+           write (*,*) "Processor",fg_rank,myrank," eelec_long",
+     &       time_eelec_long
+           write (*,*) "Processor",fg_rank,myrank," eelec_short",
+     &       time_eelec_short
+           write (*,*) "Processor",fg_rank,myrank," escp_long",
+     &       time_escp_long
+           write (*,*) "Processor",fg_rank,myrank," escp_short",
+     &       time_escp_short
+         else
+           write (*,*) "Processor",fg_rank,myrank," evdw",time_evdw
+           write (*,*) "Processor",fg_rank,myrank," eelec",time_eelec
+           write (*,*) "Processor",fg_rank,myrank," escp",time_escp
+           write (*,*) "Processor",fg_rank,myrank," escpsetup",
+     &      time_escpsetup
+           write (*,*) "Processor",fg_rank,myrank," escpcalc",
+     &      time_escpcalc
+         endif
+#endif
          write (*,*) "Processor",fg_rank,myrank," sumene",time_sumene
          write (*,*) "Processor",fg_rank,myrank," intfromcart",
      &     time_intfcart